Monomers
Acenaphthylene
Identifiers
IUPAC name
acenaphthylene
InchI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InchI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
SMILES
c1cc2cccc3c2c(c1)C=C3
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H8
Heavy Atom Count
12
Molecular Weight
152.196
Exact Molecular Weight
152.0626
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
3.3236
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0362 -1.6409 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7282 -2.0899 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 -1.1441 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6330 -1.4591 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 -0.4148 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1553 0.9027 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8201 1.2374 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0576 0.1828 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3249 0.6771 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3388 -0.2822 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2247 2.1187 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0424 2.4923 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8386 -2.3783 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4511 -3.1271 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 -2.4938 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6087 -0.6608 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8738 1.7034 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3575 0.0885 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0493 2.8038 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4796 3.4843 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
10 1 1 0
8 3 1 0
12 7 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers